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4R92

BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-4-(((1S,3R)-3-(isonicotinamido)cyclohexyl)methyl)-1-methyl-5-oxoimidazolidin-2-iminium

Summary for 4R92
Entry DOI10.2210/pdb4r92/pdb
Related4R8Y 4R91 4R93 4R95
DescriptorBeta-secretase 1, N-[(1R,3S)-3-{[(2E,4R)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]pyridine-4-carboxamide, L(+)-TARTARIC ACID, ... (4 entities in total)
Functional Keywordsaspartic protease, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological sourceHomo sapiens (human)
Cellular locationMembrane; Single-pass type I membrane protein: P56817
Total number of polymer chains2
Total formula weight93679.21
Authors
Orth, P.,Strickland, C.,Caldwell, J.P. (deposition date: 2014-09-03, release date: 2014-11-05, Last modification date: 2014-12-17)
Primary citationCaldwell, J.P.,Mazzola, R.D.,Durkin, J.,Chen, J.,Chen, X.,Favreau, L.,Kennedy, M.,Kuvelkar, R.,Lee, J.,McHugh, N.,McKittrick, B.,Orth, P.,Stamford, A.,Strickland, C.,Voigt, J.,Wang, L.,Zhang, L.,Zhang, Q.,Zhu, Z.
Discovery of potent iminoheterocycle BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 24:5455-5459, 2014
Cited by
PubMed: 25455483
DOI: 10.1016/j.bmcl.2014.10.006
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.71 Å)
Structure validation

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